N-(2-bromo-4-pyridinyl)dodecanamide

C17H27BrN2O — CID 118730976

IUPACN-(2-bromo-4-pyridinyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C17H27BrN2O/c1-2-3-4-5-6-7-8-9-10-11-17(21)20-15-12-13-19-16(18)14-15/h12-14H,2-11H2,1H3,(H,19,20,21)
InChIKeyYRALHUYSOYTRSA-UHFFFAOYSA-N
MW355.32 g/mol
LogP5.70
Rot. Bonds11

About N-(2-bromo-4-pyridinyl)dodecanamide

N-(2-bromo-4-pyridinyl)dodecanamide (PubChem CID 118730976) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is N-(2-bromo-4-pyridinyl)dodecanamide.

Molecular Properties

Compound NameN-(2-bromo-4-pyridinyl)dodecanamide
PubChem CID118730976
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC NameN-(2-bromo-4-pyridinyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C17H27BrN2O/c1-2-3-4-5-6-7-8-9-10-11-17(21)20-15-12-13-19-16(18)14-15/h12-14H,2-11H2,1H3,(H,19,20,21)
InChIKeyYRALHUYSOYTRSA-UHFFFAOYSA-N
XLogP5.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.32
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-pyridinyl)dodecanamide?
The IUPAC name of N-(2-bromo-4-pyridinyl)dodecanamide (CID 118730976) is N-(2-bromo-4-pyridinyl)dodecanamide.
What is the SMILES notation for N-(2-bromo-4-pyridinyl)dodecanamide?
The canonical SMILES for N-(2-bromo-4-pyridinyl)dodecanamide is CCCCCCCCCCCC(=O)Nc1ccnc(Br)c1.
What is the InChIKey of N-(2-bromo-4-pyridinyl)dodecanamide?
The InChIKey is YRALHUYSOYTRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-2-3-4-5-6-7-8-9-10-11-17(21)20-15-12-13-19-16(18)14-15/h12-14H,2-11H2,1H3,(H,19,20,21).
What are the key properties of N-(2-bromo-4-pyridinyl)dodecanamide?
N-(2-bromo-4-pyridinyl)dodecanamide has a molecular weight of 355.32 g/mol, XLogP of 5.70, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-pyridinyl)dodecanamide is sourced from PubChem (CID 118730976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).